Molecule card · MolClass #45333
24817294
24817294: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24817294Mitochondrial Fusion · compound_name
- MolClass ID
- 45333
- InChIKey
- TUQNUWLPOJIBMW-UHFFFAOYSA-N
- Canonical SMILES
- O=C2CC(NNC(=O)c1ccco1)C(=O)N2c3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C15H12ClN3O4/c16-9-3-5-10(6-4-9)19-13(20)8-11(15(19)22)17-18-14(21)12-2-1-7-23-12/h1-7,11,17H,8H2,(H,18,21)
- Stored Murcko scaffold
- o1cccc1[CH]NNC2[CH]N([CH]C2)c3ccccc3
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 91.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 333.727 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.456
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 24817294